N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide

C23H33N5O5S — CID 55360312

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide
SMILESCCCCCN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H33N5O5S/c1-3-5-7-14-27(19-20(24)28(13-6-4-2)23(31)25-21(19)29)22(30)16-9-8-10-18(15-16)34(32,33)26-17-11-12-17/h8-10,15,17,26H,3-7,11-14,24H2,1-2H3,(H,25,29,31)
InChIKeyWNFLSMKWPJNACQ-UHFFFAOYSA-N
MW491.61 g/mol
LogP2.20
Rot. Bonds12

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide (PubChem CID 55360312) has the molecular formula C23H33N5O5S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide
PubChem CID55360312
Molecular FormulaC23H33N5O5S
Molecular Weight491.61 g/mol
Exact Mass491.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide
SMILESCCCCCN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H33N5O5S/c1-3-5-7-14-27(19-20(24)28(13-6-4-2)23(31)25-21(19)29)22(30)16-9-8-10-18(15-16)34(32,33)26-17-11-12-17/h8-10,15,17,26H,3-7,11-14,24H2,1-2H3,(H,25,29,31)
InChIKeyWNFLSMKWPJNACQ-UHFFFAOYSA-N
XLogP2.20
TPSA147.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 55360059
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(cyclopropylamino)-3-nitrobenzamide
CID 25102359
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 24687685
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 16550098
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-bromo-N-ethylbenzamide
CID 7925744
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(propan-2-ylsulfamoyl)-N-propylbenzamide
CID 16594295
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 26186064
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4848554
N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55381277
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide
CID 30969804
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide (CID 55360312) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide is CCCCCN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide?
The InChIKey is WNFLSMKWPJNACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O5S/c1-3-5-7-14-27(19-20(24)28(13-6-4-2)23(31)25-21(19)29)22(30)16-9-8-10-18(15-16)34(32,33)26-17-11-12-17/h8-10,15,17,26H,3-7,11-14,24H2,1-2H3,(H,25,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide has a molecular weight of 491.61 g/mol, XLogP of 2.20, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide is sourced from PubChem (CID 55360312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).